CID 318594

1090-42-2

Structural Information

Molecular Formula
C10H12N6O4
SMILES
CC(=O)NC1=C(C(=NC(=N1)NC(=O)C)NC(=O)C)N=O
InChI
InChI=1S/C10H12N6O4/c1-4(17)11-8-7(16-20)9(12-5(2)18)15-10(14-8)13-6(3)19/h1-3H3,(H3,11,12,13,14,15,17,18,19)
InChIKey
RQMUGTHVETWKBA-UHFFFAOYSA-N
Compound name
N-(2,6-diacetamido-5-nitrosopyrimidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.092 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09928 160.6
[M+Na]+ 303.08122 167.4
[M-H]- 279.08472 164.0
[M+NH4]+ 298.12582 173.4
[M+K]+ 319.05516 167.4
[M+H-H2O]+ 263.08926 151.5
[M+HCOO]- 325.09020 186.5
[M+CH3COO]- 339.10585 212.4
[M+Na-2H]- 301.06667 164.9
[M]+ 280.09145 162.6
[M]- 280.09255 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.